Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | LOX | P28300 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21780093 | 1.00 | HPGD (0.50) | HPGDALDH1A1SMN1; SMN2NPC1MEN1 | |
| Trifluoroacetic Acid SCHEMBL30089479 | 0.95 | HPGD (0.45) | HPGDALDH1A1SMN1; SMN2NPC1MEN1 | |
| Trifluoroacetic Acid SCHEMBL30089487 | 0.95 | HPGD (0.45) | HPGDALDH1A1SMN1; SMN2NPC1MEN1 | |
| Trifluoroacetic Acid SCHEMBL30089447 | 0.95 | HPGD (0.45) | HPGDALDH1A1SMN1; SMN2NPC1MEN1 | |
| SCHEMBL21780058 | 0.87 | AOC2 (0.41) | HPGDALDH1A1SMN1; SMN2NPC1AOC3 | |
| SCHEMBL21780057 | 0.87 | AOC2 (0.41) | HPGDALDH1A1SMN1; SMN2NPC1AOC3 | |
| SCHEMBL21780132 | 0.85 | AOC2 (0.56) | HPGDMEN1KMT2AAOC3CA1 | |
| SCHEMBL21780142 | 0.85 | AOC2 (0.56) | HPGDMEN1KMT2AAOC3CA1 | |
| SCHEMBL21780097 | 0.83 | NPC1 (0.45) | HPGDALDH1A1SMN1; SMN2NPC1MEN1 | |
| Trifluoroacetic Acid SCHEMBL21768123 | 0.83 | AOC2 (0.38) | HPGDALDH1A1SMN1; SMN2NPC1AOC3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3617186-A1 | FLUOROALLYLAMINE DERIVATIVE AND USE THEREOF | Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) | 2020-03-04 | — | — | EP | disclosed |